SCHEMBL7124580

SCHEMBL7124580

O=C(O)C1=CC(O)[C@H](O)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.47
CES2 O00748 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
GABRR1 P24046 2/20 0.32
ABAT P80404 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27577694 1.00 OAT (0.47) OATCES2TSHRLMNAGABRR1
SCHEMBL11955118 1.00 OAT (0.47) OATCES2TSHRLMNAGABRR1
SCHEMBL22487940 1.00 OAT (0.47) OATCES2TSHRLMNAGABRR1
SCHEMBL16646284 0.79 OAT (0.44) OATCES2TSHRLMNAGABRR1
SCHEMBL7555275 0.78
SCHEMBL23781995 0.77
SCHEMBL29615783 0.77
SCHEMBL21232956 0.77
SCHEMBL19559700 0.76 CHRM3 (0.36) TSHRLMNABLM
SCHEMBL24240596 0.71 CES2 (0.38) OATCES2TSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670168-B1 Cell comprises a modified rapamycin polyketide synthase (PKS) gene cluster with an acyltransferase (AT) domain in extender module 10 having malonyl CoA specificity. KOSAN BIOSCIENCE, INC. 2003-12-30 US disclosed